SCHEMBL3053787

SCHEMBL3053787

Cc1cc2c(CN(C(=O)c3ccncc3C)c3ccc(F)cc3Cl)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.48
NOS1 P29475 4/20 0.48
NOS3 P29474 3/20 0.48
GPBAR1 Q8TDU6 2/20 0.35
KDM4E B2RXH2 4/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3064357 0.92 NOS2 (0.46) NOS2NOS1NOS3KDM4EKMT2A
SCHEMBL3061243 0.91 NOS2 (0.49) NOS2NOS1NOS3GPBAR1KDM4E
SCHEMBL3043358 0.83 NOS2 (0.56) NOS2NOS1NOS3GPBAR1KDM4E
SCHEMBL3064877 0.83 NOS2 (0.53) NOS2NOS1NOS3KDM4EKMT2A
SCHEMBL3049921 0.81 TSPO (0.46) NOS2NOS1NOS3KDM4EKMT2A
SCHEMBL3058475 0.80 NOS3 (0.43) NOS2NOS1NOS3ALDH1A1TP53
SCHEMBL3043956 0.80 KMT2A (0.38) NOS2NOS1NOS3KDM4EKMT2A
SCHEMBL3053791 0.79 NOS2 (0.38) NOS2NOS1NOS3KDM4EKMT2A
SCHEMBL3058609 0.78 NOS1 (0.51) NOS2NOS1NOS3GPBAR1KDM4E
SCHEMBL3058604 0.77 NOS2 (0.52) NOS2NOS1NOS3GPBAR1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
CN-101405268-A Amide derivatives and their use for the treatment of protein-related diseases NOVARTIS AG (CH) 2009-04-08 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 NOS2 3548/4885NOS1 3682/4885NOS3 3019/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.